1-[(2,4-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium

Systemtic Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium Openeye Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium CAS Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium IUPAC Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium Traditional Name: 1-(2,4-dimethoxybenzyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C(=C3)OC)OCO4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C(=C3)OC)OCO4)OC

InChI

InChI=1S/C22H28N2O5/c1-25-18-5-4-17(19(12-18)26-2)14-24-8-6-23(7-9-24)13-16-10-20(27-3)22-21(11-16)28-15-29-22/h4-5,10-12H,6-9,13-15H2,1-3H3/p+1